3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide

C15H18N2OS2 — CID 107298626

IUPAC3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCC3CCSC3)sc2c1
InChIInChI=1S/C15H18N2OS2/c1-9-2-3-11-12(6-9)20-14(13(11)16)15(18)17-7-10-4-5-19-8-10/h2-3,6,10H,4-5,7-8,16H2,1H3,(H,17,18)
InChIKeyLYFKOKYCXLYJOB-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.27
Rot. Bonds3

About 3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide

3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 107298626) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID107298626
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCC3CCSC3)sc2c1
InChIInChI=1S/C15H18N2OS2/c1-9-2-3-11-12(6-9)20-14(13(11)16)15(18)17-7-10-4-5-19-8-10/h2-3,6,10H,4-5,7-8,16H2,1H3,(H,17,18)
InChIKeyLYFKOKYCXLYJOB-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 66007256
3-amino-6-bromo-N-(thian-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114908127
3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81300971
7-amino-N-(thiolan-3-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 107298629
3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 107323866
3-amino-6-bromo-N-(1,4-dithian-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114908129
3-amino-6-bromo-N-(oxan-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114907958
3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 106311382
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(thiolan-3-ylmethyl)benzamide
CID 107297862
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 106174239
3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide
CID 113486145
3-amino-6-bromo-N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114907902

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide (CID 107298626) is 3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCC3CCSC3)sc2c1.
What is the InChIKey of 3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is LYFKOKYCXLYJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-9-2-3-11-12(6-9)20-14(13(11)16)15(18)17-7-10-4-5-19-8-10/h2-3,6,10H,4-5,7-8,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide?
3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 306.46 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107298626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).